Information card for entry 2210396

Structure parameters

• Chemical name: Poly[[μ-aquatetra-μ-thiocyanato-cadmium(II)mercury(II)] sulfolane solvate]
• Formula: C8 H10 Cd Hg N4 O3 S5
• Calculated formula: C8 H10 Cd Hg N4 O3 S5
• Title of publication: Poly[[μ-aqua-tetra-μ-thiocyanato-cadmium(II)mercury(II)] sulfolane solvate]
• Authors of publication: Wang, Xin-Qiang; Yu, Wen-Tao; Hou, Xian-Qin; Xu, Dong; Geng, Yan-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2333 - m2335
• a: 8.7219 ± 0.0007 Å
• b: 17.3525 ± 0.0019 Å
• c: 12.2719 ± 0.0014 Å
• α: 90°
• β: 92.457 ± 0.009°
• γ: 90°
• Cell volume: 1855.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes